Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14488272 | 1.00 | HSP90AA1 (0.39) | HSP90AA1TLR9CASP1ERN1CCR5 | |
| SCHEMBL2787330 | 0.73 | HSP90AA1 (0.41) | HSP90AA1TLR9CASP1ERN1HPGD | |
| SCHEMBL16959640 | 0.73 | ERN1 (0.45) | HSP90AA1TLR9CASP1ERN1HPGD | |
| SCHEMBL29661857 | 0.73 | HSP90AA1 (0.41) | HSP90AA1TLR9CASP1ERN1HPGD | |
| SCHEMBL414267 | 0.73 | ERN1 (0.61) | HSP90AA1TLR9ERN1LMNACA12 | |
| SCHEMBL20755832 | 0.73 | GAA (0.38) | HSP90AA1CASP1ERN1HPGDTSHR | |
| SCHEMBL23797445 | 0.71 | HSP90AA1 (0.39) | HSP90AA1TLR9CASP1ERN1CA12 | |
| SCHEMBL23797447 | 0.71 | HSP90AA1 (0.39) | HSP90AA1TLR9CASP1ERN1CA12 | |
| SCHEMBL20756590 | 0.70 | KDM4E (0.35) | CASP1HPGDTSHRCA12CA1 | |
| SCHEMBL20830419 | 0.70 | KDM4E (0.35) | CASP1HPGDTSHRCA12CA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013005157-A1 | SULFONE DERIVATIVES AND THEIR USE AS PKM2 MODULATORS FOR THE TREATMENT OF CANCER | LUPIN LIMITED (IN) | 2013-01-10 | — | — | WO | disclosed |